6,7-diethoxy-4-[[2-ethyl-3-(thiomorpholin-4-ylmethyl)phenyl]amino]quinoline-3-carboxamide

Systemtic Name: 6,7-diethoxy-4-[[2-ethyl-3-(thiomorpholin-4-ylmethyl)phenyl]amino]quinoline-3-carboxamide Openeye Name: 6,7-diethoxy-4-[2-ethyl-3-(thiomorpholinomethyl)anilino]quinoline-3-carboxamide CAS Name: 6,7-diethoxy-4-[2-ethyl-3-(thiomorpholin-4-ylmethyl)anilino]-3-quinolinecarboxamide IUPAC Name: 6,7-diethoxy-4-[2-ethyl-3-(thiomorpholin-4-ylmethyl)anilino]quinoline-3-carboxamide Traditional Name: 6,7-diethoxy-4-[2-ethyl-3-(thiomorpholinomethyl)anilino]quinoline-3-carboxamide Formula: C27H34N4O3S MolecularWeight: 494.64886

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CN4CCSCC4

Isomeric SMILES

CCC1=C(C=CC=C1NC2=C(C=NC3=CC(=C(C=C32)OCC)OCC)C(=O)N)CN4CCSCC4

InChI

InChI=1S/C27H34N4O3S/c1-4-19-18(17-31-10-12-35-13-11-31)8-7-9-22(19)30-26-20-14-24(33-5-2)25(34-6-3)15-23(20)29-16-21(26)27(28)32/h7-9,14-16H,4-6,10-13,17H2,1-3H3,(H2,28,32)(H,29,30)